N-(2,5-dimethoxyphenyl)-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase ID: 214549
• Molecular Formular: C25H25NO6
• Molecular Mass: 435.4691
• Monoisotopic Mass: 435.16818753
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)Nc1cc(ccc1OC)OC)C
• Canonical SMILES: COc1ccc(c(c1)NC(=O)Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C)OC
• InChI: InChI=1S/C25H25NO6/c1-12-9-20-23(24-22(12)13(2)15(4)31-24)14(3)17(25(28)32-20)11-21(27)26-18-10-16(29-5)7-8-19(18)30-6/h7-10H,11H2,1-6H3,(H,26,27)
• InChIKey: IQBXLIRNEPJHBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-dimethoxyphenyl)-2-{2,3,4,9-tetramethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC Traditional name: N-(2,5-dimethoxyphenyl)-2-{2,3,4,9-tetramethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

Database IDs

• PubChem SID: 164270459
• PubChem CID: 4967806

CALCULATED PROPERTIES

• Acid pKa: 10.789511
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.107116
• LogD (pH = 7.4): 4.106942
• Log P: 4.1071186
• Molar Refractivity: 121.731 cm^3
• Polarizability: 46.71909 Å^3
• Polar Surface Area: 87.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds